Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e583c43e1f26bdab3b0f796d44239c6b",
"space_group_name": "I 41",
"unit_cell": {
"a": 106.049,
"b": 106.049,
"c": 227.819,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.431,3.320],
"number_observations_unique": 18288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.380,3.320],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.328
},
{
"type": "R(meas)",
"value": 1.545
},
{
"type": "R(pim)",
"value": 0.776
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [3.440,3.380],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.089
},
{
"type": "R(meas)",
"value": 1.248
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [3.500,3.440],
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.925
},
{
"type": "R(meas)",
"value": 1.053
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [3.580,3.500],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [3.650,3.580],
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [3.740,3.650],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.830,3.740],
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.940,3.830],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.050,3.940],
"number_observations_unique": 926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.180,4.050],
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.330,4.180],
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.510,4.330],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.710,4.510],
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.960,4.710],
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.270,4.960],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.680,5.270],
"number_observations_unique": 926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [6.250,5.680],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [7.150,6.250],
"number_observations_unique": 920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [9.010,7.150],
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [100.000,9.010],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}